2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide

C23H19Cl2N3O3S — CID 2108704

About 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide

2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 2108704) has the molecular formula C23H19Cl2N3O3S and a molecular weight of 488.40 g/mol. Its IUPAC name is 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
• PubChem CID: 2108704
• Molecular Formula: C23H19Cl2N3O3S
• Molecular Weight: 488.40 g/mol
• Exact Mass: 487.05
• IUPAC Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
• SMILES: O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)NCCc1ccc(Cl)cc1
• InChI: InChI=1S/C23H19Cl2N3O3S/c24-16-5-3-15(4-6-16)9-10-26-21(29)14-32-23-27-20-12-17(25)7-8-19(20)22(30)28(23)13-18-2-1-11-31-18/h1-8,11-12H,9-10,13-14H2,(H,26,29)
• InChIKey: VEOHIWXPRUVGQW-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.40
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide?

The IUPAC name of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 2108704) is 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide.

What is the SMILES notation for 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide?

The canonical SMILES for 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide is O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)NCCc1ccc(Cl)cc1.

What is the InChIKey of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide?

The InChIKey is VEOHIWXPRUVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3S/c24-16-5-3-15(4-6-16)9-10-26-21(29)14-32-23-27-20-12-17(25)7-8-19(20)22(30)28(23)13-18-2-1-11-31-18/h1-8,11-12H,9-10,13-14H2,(H,26,29).

What are the key properties of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide?

2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 488.40 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 2108704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).